N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C22H23N5S — CID 53326939

IUPACN-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)
InChIKeyQIBXOVRDBODCRT-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 53326939) has the molecular formula C22H23N5S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID53326939
Molecular FormulaC22H23N5S
Molecular Weight389.53 g/mol
Exact Mass389.17
IUPAC NameN-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)
InChIKeyQIBXOVRDBODCRT-UHFFFAOYSA-N
XLogP4.56
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

Mavorixafor
CID 11256587
2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline
CID 11688103
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11521761
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 53326939) is N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is QIBXOVRDBODCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26).
What are the key properties of N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 389.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)thiophen-3-yl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 53326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).